GLPG1837

CAT: 0127-BUP15197-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15197-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1654725-02-6

Synonyms

ABBV-974

Purity

=98%

Smiles

CC1(C)Cc2c(sc(NC(=O)c3cc[nH]n3)c2C(N)=O)C(C)(C)O1

Chemical Information

Glpg-1837

a cystic fibrosis transmembrane conductance regulator (CFTR) potentiator

CAS Number	1654725-02-6
PubChem CID	117857370
IUPAC Name	N-(3-carbamoyl-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-5-carboxamide
Molecular Formula	C16H20N4O3S
Molecular Weight	348.4
XLogP	1.8
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	539

SMILES

CC1(CC2=C(C(O1)(C)C)SC(=C2C(=O)N)NC(=O)C3=CC=NN3)C

InChI

InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)

InChIKey

GHTGYZMBQPXTCQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1654725-02-6

CID: 117857370

Formula: C16H20N4O3S

MW: 348.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.4
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	348.12561169
Monoisotopic Mass	348.12561169
Topological Polar Surface Area	138 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	539
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP09235-01	GLPG0187